4KGE
Crystal structure of near-infrared fluorescent protein with an extended stokes shift, pH 4.5
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-27 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 106.050, 106.050, 219.526 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.110 - 2.300 |
| R-factor | 0.1899 |
| Rwork | 0.188 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bxa |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.551 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.090 | 0.034 | 0.660 |
| Number of reflections | 32982 | ||
| <I/σ(I)> | 10.8 | ||
| Completeness [%] | 99.5 | 99.6 | 100 |
| Redundancy | 21 | 18.9 | 21.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.1M Na-acetate, pH 4.5, 3.0M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
